>compound S-Sulfocysteine_S-Sulfocysteine
#instrument UPLC Q-Tof Premier, Waters
>formula C3H7NO5S2
#smiles N[C@H](C(O)=O)CSS(O)(=O)=O
#RECORD LC-ESI-QTOF_train_data/PR100848.txt;LC-ESI-QTOF_train_data/PR100393.txt
>charge -1
>ionization [M-H]-
>parentmass 199.96877

>collision 5-60
74.0082 242.2
79.9581 35.69
80.966 445.5
112.9376 113.5
120.0123 160.3
136.0072 325.2
199.9688 316.1

>collision 5-60
74.0068 177.5
120.0116 344.8
201.9844 44.94

